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1.
Lattice-Boltzmann Simulations of Particle-Fluid Suspensions   总被引:7,自引:0,他引:7  
This paper reviews applications of the lattice-Boltzmann method to simulations of particle-fluid suspensions. We first summarize the available simulation methods for colloidal suspensions together with some of the important applications of these methods, and then describe results from lattice-gas and lattice-Boltzmann simulations in more detail. The remainder of the paper is an update of previously published work,(69, 70) taking into account recent research by ourselves and other groups. We describe a lattice-Boltzmann model that can take proper account of density fluctuations in the fluid, which may be important in describing the short-time dynamics of colloidal particles. We then derive macro-dynamical equations for a collision operator with separate shear and bulk viscosities, via the usual multi-time-scale expansion. A careful examination of the second-order equations shows that inclusion of an external force, such as a pressure gradient, requires terms that depend on the eigenvalues of the collision operator. Alternatively, the momentum density must be redefined to include a contribution from the external force. Next, we summarize recent innovations and give a few numerical examples to illustrate critical issues. Finally, we derive the equations for a lattice-Boltzmann model that includes transverse and longitudinal fluctuations in momentum. The model leads to a discrete version of the Green–Kubo relations for the shear and bulk viscosity, which agree with the viscosities obtained from the macro-dynamical analysis. We believe that inclusion of longitudinal fluctuations will improve the equipartition of energy in lattice-Boltzmann simulations of colloidal suspensions.  相似文献
2.
环丙氟沙星荧光探针对小牛胸腺DNA相互作用的研究   总被引:4,自引:1,他引:3  
使用紫外和荧光光谱法研究了环丙氟沙星(CIF)和小牛胸腺DNA(ctDNA)之间的相互作用.在pH7.0磷酸盐缓冲液中,CIF在270 nm激发和在420 nm处有很强的荧光发射.它们间的沟槽作用导致小牛胸腺ctDNA对CIF的荧光存在着很强的猝灭作用,猝灭常数为2.64×104mol-1L(25℃).利用ctDNA对CIF的荧光猝灭作用建立了核酸测定的新方法,线性范围为80 mol·L-1~45 μmol·L-1,对25 μmol·L-1ctDNA的相对标准偏差为4.2%.  相似文献
3.
Sonophotocatalysis involves the use of a combination of ultrasonic irradiation, ultraviolet radiation and a semiconductor photocatalyst, which enhances the rates of chemical reactions by the formation of enhanced amounts of free radicals. In the present work, the sonophotocatalytic degradation of p-nitrophenol has been investigated using low frequency ultrasound waves (25 kHz) with an acoustic power of 1 kW and UV tube of 11 W power rating at an operating volume of 7 L. The efficacy of combination of sonochemistry and photocatalysis has been initially compared with the individual operation of sonolysis and photocatalytic oxidation. The effect of operational conditions such as the initial p-nitrophenol concentration, pH and catalyst concentration on the extent of degradation has been investigated using sonophotocatalysis. The initial concentration of the pollutant was varied in the range 10 to 100 ppm whereas pH in the range of 2.5-11 and catalyst loading in the range of 0.5-4 g/l. Intensification studies have been carried out using hydrogen peroxide and Fenton chemistry. In all the systems investigated, maximum extent of degradation (94.6%) was observed for 10 ppm of p-nitrophenol initial concentration (w/v) using combination of sonophotocatalysis and optimum quantity of H(2)O(2). Use of Fenton chemistry also plays an effective role in enhancing the extent of degradation though the concentration of additive needs to be carefully adjusted in order to get maximum beneficial effects.  相似文献
4.
Cavitation results in conditions of turbulence and liquid circulation in the reactor which can aid in eliminating mass transfer resistances. The present work illustrates the use of cavitation for intensification of biodiesel synthesis (esterification) reaction, which is mass transfer limited reaction considering the immiscible nature of the reactants, i.e., fatty acids and alcohol. Esterification of fatty acid (FA) odour cut (C(8)-C(10)) with methanol in the presence of concentrated H(2)SO(4) as a catalyst has been studied in hydrodynamic cavitation reactor as well as in the sonochemical reactor. The different reaction operating parameters such as molar ratio of acid to alcohol, catalyst quantity have been optimized under acoustic as well as hydrodynamic cavitating conditions in addition to the optimization of the geometry of the orifice plate in the case of hydrodynamic cavitation reactors. Few experiments have also been carried out with other acid (lower and higher)/methanol combination viz. caprylic acid and capric acids with methanol with an aim of investigating the efficacy of cavitation for giving the desired yields and also to quantify the degree of process intensification that can be achieved using the same. It has been observed that ambient operating conditions of temperature and pressure and reaction times of <3h, for all the different combinations of acid (lower and higher)/methanol studied in the present work, was sufficient for giving >90% conversion (mol%). This clearly establishes the efficacy of cavitation as an excellent way to achieve process intensification of the biodiesel synthesis process.  相似文献
5.
Phenolic compounds, including its chloro and nitro derivatives, contribute significantly to environmental hazards due to high degree of toxicity as well as improper disposal methods. Cavitation can be used for degradation of phenolic compounds and recently Kidak and Ince [R. Kidak, N.H. Ince, Ultrason. Sonochem. 13 (2006) 195] have given an interesting review on the application of cavitation for destruction of phenolic compounds. A main finding of their work and generally accepted fact is that cavitation alone cannot be an economical technique for wastewater treatment. The present work overviews the different ways in which the cavitation phenomena can be intensified by using additives and/or combining cavitation with other oxidation processes. Hybrid methods viz. Ultrasound/H2O2 or ozone, cavitation assisted by use of catalysts/additives, sonophotocatalytic oxidation and cavitation coupled with biological oxidation have been discussed with specific reference to the principle behind the expected synergism, different reactor configurations used and optimum considerations for the operating and geometric parameters. Some of the important works evaluating the application of these processes for the destruction of phenolic compounds has been described in details. Some guidelines for the future work required to facilitate efficient large-scale operation have also been given.  相似文献
6.
Ultrasonic emulsification of oil and water was carried out and the effect of irradiation time, irradiation power and physicochemical properties of oil on the dispersed phase volume and dispersed phase droplet size has been studied. The increase in the irradiation time increases the dispersed phase volume while decreases the dispersed phase droplets size. With an increase in the ultrasonic irradiation power, there is an increase in the fraction of volume of the dispersed phase while the droplet size of the dispersed phase decreases. The fractional volume of the dispersed phase increases for the case of groundnut oil-water system while it is low for paraffin (heavy) oil-water system. The droplet size of soyabean oil dispersed in water is found to be small while that of paraffin (heavy) oil is found to be large. These variations could be explained on the basis of varying physicochemical properties of the system, i.e., viscosity of oil and the interfacial tension. During the ultrasonic emulsification, coalescence phenomenon which is only marginal, has been observed, which can be attributed to the collision of small droplets when the droplet concentration increases beyond a certain number and the acoustic streaming strength increases.  相似文献
7.
Important advantages in the use of alternative and renewable fuels (CO2 reduction in the atmosphere, recovery of energy from wastes, limited SOx, NOx and heavy metal emissions) can be obtained only by solving technological and economical problems that make direct combustion of such fuels impractical. This is possible after a detailed investigation to determine the most important features of these materials in all steps of the thermal process. At present, few data can actually be found for the char properties of these fuels. Nevertheless, the knowledge of properties of chars (especially after severe devolatilization) is crucial for both modeling purposes (reactivity, kinetics of combustion and gasification, morphology variations, composition, and fate of pollutant precursors) and practical applications (boiler efficiency, ash deposition, and condensation causing fouling and slagging problems).This work deals with the characterization of chars from different classes of materials (biomasses, waste, and low and high volatile matter (VM) coals) obtained after a devolatilization performed in severe thermal conditions, i.e., high temperature and high heating rate. A methodological approach is developed, applied, and discussed, using an electrodynamic balance that is a versatile analyzer for the study of properties of single levitated particles. The specific heat, size, and shape distribution, and density variation between the char and the parent material are evaluated for all materials. Scanning electron microscopy (SEM) analysis is also carried out to investigate morphological variations and support the major results obtained with the electrodynamic analyzer.  相似文献
8.
氮功能化大环化合物及其Ni(Ⅱ)配合物的合成和谱学研究   总被引:1,自引:0,他引:1  
以丙酮,乙二胺,溴乙酸乙酯为原料合成了三种新的氮功能化四氮杂大环化合物的配合物,用元素分析,电子光谱,红外光谱,氢核磁共振谱和质谱对它们进行了研究。  相似文献
9.
Diamines are known to act as a medium to bind miscellaneous compounds to carbon nanotubes (CNT). However, they are commonly applied in a tedious manner. Here, multi-walled carbon nanotubes (MWCNTs) were functionalized by a series of diamine molecules (ethylenediamine, 1,6-hexamethylenediamine and 1,4-diaminobenzen) in a one-pot, rapid microwave-assisted method. Surface functionality groups and morphology of MWCNTs were analyzed by infrared spectroscopy, thermogravimetric analysis, Raman spectroscopy, scanning electron microscopy, and transmission electron microscopy. The results consistently confirmed the formation of diamines functionalities on MWCNTs, while the structure of MWCNT has remained relatively intact. This simple and efficient process may play an important role for realizing miscellaneous functionalization of CNTs.  相似文献
10.
利用拉曼光谱检测乙丙共聚物中乙烯含量   总被引:1,自引:0,他引:1  
通过分析不同乙烯含量的聚丙烯样品的拉曼光谱,并结合偏最小二乘法(PIS),对聚丙烯中的乙烯含量进行了研究.对比聚乙烯和聚丙烯的拉曼光谱,分析了 50~600,600~1 600及2 700~3 100 cm-1 等三个特征谱段的拉曼光谱谱图;建立了乙烯含量的 PLSI 回归模型,发现利用 50~3 600 cm-1 全谱段拉曼光谱建立的乙烯含量模型的预测效果最佳,与近红外光游(NIR)的检测值结果相近,与真实值间的线性相关系数(r)、平均相对误差(RAI))和均方根误差(RMSE)分别为0.995,2.65%和0.319.对50~3 600 cm1 范围的拉曼光谱进行 PLS 分析,发现第一项 PLS 成分的载荷分布能够反映乙烯含量与聚丙烯分子结构间的关系,即与 CH2 的数量成正相关,而与CH3,C-H 和 C-C 键的数量成负相关.研究表明,利用拉曼光谱可实现乙丙共聚聚丙烯中乙烯含量的快速检测.  相似文献
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